Geometry & MOs

Info

ID:	443615
PubChem CID:	135259516
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	416.164854
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	2.84
IP(EA), eV:	-8.45(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-7-fluoro-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)N(C2CC2)C3=CC=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations